N-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide

C26H24FN3O4 — CID 42363193

IUPACN-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide
SMILESCc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)c1ccc3c(c1)OCCO3)C2
InChIInChI=1S/C26H24FN3O4/c1-16-21(14-29-25(31)20-4-2-3-5-22(20)27)19-8-9-30(15-18(19)13-28-16)26(32)17-6-7-23-24(12-17)34-11-10-33-23/h2-7,12-13H,8-11,14-15H2,1H3,(H,29,31)
InChIKeyYVUYRXHBFCLDLH-UHFFFAOYSA-N
MW461.49 g/mol
LogP3.43
Rot. Bonds4

About N-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide

N-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide (PubChem CID 42363193) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide
PubChem CID42363193
Molecular FormulaC26H24FN3O4
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC NameN-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide
SMILESCc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)c1ccc3c(c1)OCCO3)C2
InChIInChI=1S/C26H24FN3O4/c1-16-21(14-29-25(31)20-4-2-3-5-22(20)27)19-8-9-30(15-18(19)13-28-16)26(32)17-6-7-23-24(12-17)34-11-10-33-23/h2-7,12-13H,8-11,14-15H2,1H3,(H,29,31)
InChIKeyYVUYRXHBFCLDLH-UHFFFAOYSA-N
XLogP3.43
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide (CID 42363193) is N-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide is Cc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)c1ccc3c(c1)OCCO3)C2.
What is the InChIKey of N-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide?
The InChIKey is YVUYRXHBFCLDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-16-21(14-29-25(31)20-4-2-3-5-22(20)27)19-8-9-30(15-18(19)13-28-16)26(32)17-6-7-23-24(12-17)34-11-10-33-23/h2-7,12-13H,8-11,14-15H2,1H3,(H,29,31).
What are the key properties of N-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide?
N-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide has a molecular weight of 461.49 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 42363193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).